Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
Top Cited Papers
- 4 October 2000
- journal article
- research article
- Published by American Chemical Society (ACS) in Accounts of Chemical Research
- Vol. 33 (12), 889-897
- https://doi.org/10.1021/ar000033j
Abstract
No abstract availableKeywords
This publication has 24 references indexed in Scilit:
- Continuum Solvent Studies of the Stability of RNA Hairpin Loops and HelicesJournal of Biomolecular Structure and Dynamics, 1998
- Free Energy Analysis of the Conformational Preferences of A and B Forms of DNA in SolutionJournal of the American Chemical Society, 1998
- Observation of an A-DNA to B-DNA transition in a nonhelical nucleic acid hairpin molecule using molecular dynamicsBiophysical Journal, 1997
- A molecular level picture of the stabilization of A-DNA in mixed ethanol–water solutionsProceedings of the National Academy of Sciences of the United States of America, 1997
- Molecular Dynamics Simulations Find That 3‘ Phosphoramidate Modified DNA Duplexes Undergo a B to A Transition and Normal DNA Duplexes an A to B TransitionJournal of the American Chemical Society, 1997
- Molecular Dynamics Simulations Highlight the Structural Differences among DNA:DNA, RNA:RNA, and DNA:RNA Hybrid DuplexesJournal of the American Chemical Society, 1997
- Free energy calculations: Applications to chemical and biochemical phenomenaChemical Reviews, 1993
- Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systemsThe Journal of Chemical Physics, 1993
- Dynamics of folded proteinsNature, 1977
- X-Ray Diffraction Studies of Double Helical Ribonucleic AcidNature, 1966